#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kep n GLY 460 N 0.00 2.22 3.78 7.13 0.00 -1.26 -4.88 105.19 112.18 3kep n GLY 460 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3kep n GLY 460 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kep s TYR 461 N -3.30 2.88 0.08 1.61 2.02 -1.26 -0.81 117.35 118.57 3kep s TYR 461 Ca 0.00 1.56 -0.20 0.00 -0.37 0.00 0.00 57.07 58.07 3kep s TYR 461 Cb 0.00 -3.25 0.05 0.00 -0.40 0.00 0.00 41.96 38.36 3kep s TYR 461 CO 0.00 -1.27 0.47 1.67 -1.57 0.00 0.00 175.55 174.85 3kep s TRP 462 N -1.73 -0.33 0.13 2.71 1.48 0.20 -4.93 118.94 116.47 3kep s TRP 462 Ca 0.67 0.23 -0.09 0.00 -1.06 0.00 0.00 56.10 55.85 3kep s TRP 462 Cb -0.23 0.31 -0.00 0.00 -1.16 0.00 0.00 33.47 32.38 3kep s TRP 462 CO 0.28 -0.66 0.25 0.00 -4.06 0.00 0.00 176.95 172.75 3kep s SER 464 N -2.92 0.64 0.69 0.00 0.15 -0.03 -3.32 113.70 108.90 3kep s SER 464 Ca 0.12 0.05 -0.17 0.00 0.70 0.00 0.00 55.95 56.66 3kep s SER 464 Cb 0.04 -0.12 -0.03 0.00 -1.71 0.00 0.00 66.02 64.19 3kep s SER 464 CO -0.04 -0.19 0.71 -2.65 1.20 0.00 0.00 173.24 172.27 3kep n PRO 465 N 4.75 0.47 -1.35 5.44 -0.02 -1.26 -1.17 135.00 141.85 3kep n PRO 465 Ca -0.15 0.20 -0.31 0.00 -2.02 0.00 0.00 63.50 61.22 3kep n PRO 465 Cb 0.50 -1.97 0.08 0.00 -0.02 0.00 0.00 33.50 32.09 3kep n PRO 465 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kep s SER 466 N -1.45 4.65 0.39 2.55 1.04 -1.21 -4.73 113.70 114.94 3kep s SER 466 Ca 0.70 1.72 0.16 0.00 0.48 0.00 0.00 55.95 59.01 3kep s SER 466 Cb -0.37 -2.46 1.04 0.00 0.10 0.00 0.00 66.02 64.32 3kep s SER 466 CO 0.54 -1.93 1.80 -0.65 0.98 0.00 0.00 173.24 173.98 3kep h PRO 467 N -1.05 0.45 0.00 4.02 0.11 -1.97 -0.16 132.00 133.39 3kep h PRO 467 Ca -0.44 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.49 3kep h PRO 467 Cb 1.23 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3kep h PRO 467 CO 0.53 0.30 -0.72 0.93 -0.21 0.00 0.00 178.00 178.83 3kep h GLU 468 N 0.46 0.00 -0.31 1.05 3.07 -1.98 -2.44 114.58 114.43 3kep h GLU 468 Ca 0.55 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 59.28 3kep h GLU 468 Cb 1.29 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.20 3kep h GLU 468 CO -0.27 0.72 -0.32 1.96 -1.40 0.00 0.00 179.01 179.70 3kep h GLN 469 N 0.00 0.76 -0.84 2.33 4.20 -1.52 -3.22 115.11 116.83 3kep h GLN 469 Ca -0.01 -0.41 -0.02 0.00 0.06 0.00 0.00 58.65 58.27 3kep h GLN 469 Cb 1.28 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 29.03 3kep h GLN 469 CO 0.09 1.03 0.43 -0.07 -0.67 0.00 0.00 178.83 179.65 3kep h LEU 470 N 0.52 1.06 -2.48 1.46 3.38 -0.96 -2.41 115.31 115.89 3kep h LEU 470 Ca 0.05 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3kep h LEU 470 Cb 0.90 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 3kep h LEU 470 CO 0.08 0.87 -0.02 -0.33 0.09 0.00 0.00 178.44 179.13 3kep h GLU 471 N 1.18 0.00 -0.01 1.13 5.08 -1.45 -0.35 114.58 120.17 3kep h GLU 471 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3kep h GLU 471 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3kep h GLU 471 CO -0.04 0.02 -0.23 0.54 -1.00 0.00 0.00 179.01 178.30 3kep n ARG 472 N -3.62 0.90 -2.68 2.33 5.12 -0.91 -4.90 116.66 112.89 3kep n ARG 472 Ca -0.03 -0.52 -0.33 0.00 -1.93 0.00 0.00 57.85 55.04 3kep n ARG 472 Cb 0.11 -1.49 -0.05 0.00 -1.16 0.00 0.00 32.46 29.87 3kep n ARG 472 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3kep s LEU 473 N -2.46 3.87 0.77 0.55 1.43 -0.14 -5.04 118.68 117.66 3kep s LEU 473 Ca 0.26 1.74 -0.11 0.00 -1.03 0.00 0.00 54.13 54.99 3kep s LEU 473 Cb 0.19 -4.54 0.06 0.00 0.03 0.00 0.00 46.19 41.93 3kep s LEU 473 CO 0.50 -0.52 1.08 -0.94 0.23 0.00 0.00 176.35 176.71 3kep s SER 474 N -2.24 4.58 0.31 2.29 1.04 -1.26 -4.82 113.70 113.59 3kep s SER 474 Ca 0.63 1.65 0.04 0.00 0.48 0.00 0.00 55.95 58.75 3kep s SER 474 Cb -0.11 -2.40 0.63 0.00 0.10 0.00 0.00 66.02 64.24 3kep s SER 474 CO 0.17 -1.96 1.85 -0.07 0.98 0.00 0.00 173.24 174.21 3kep h LEU 475 N -1.08 0.85 -0.40 2.42 3.38 -1.97 0.48 115.31 118.99 3kep h LEU 475 Ca -0.45 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 3kep h LEU 475 Cb 1.24 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 3kep h LEU 475 CO 0.54 0.45 0.14 0.11 0.09 0.00 0.00 178.44 179.77 3kep h LYS 476 N 0.91 0.62 -0.56 1.13 1.79 -2.01 -2.95 116.57 115.50 3kep h LYS 476 Ca 0.48 -0.13 -0.09 0.00 -2.18 0.00 0.00 60.65 58.73 3kep h LYS 476 Cb 0.54 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.08 3kep h LYS 476 CO -0.24 0.61 -0.02 1.96 -1.08 0.00 0.00 179.45 180.67 3kep h GLN 477 N 0.50 0.98 0.00 3.15 4.20 -1.74 -2.92 115.11 119.28 3kep h GLN 477 Ca 0.13 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.53 3kep h GLN 477 Cb 0.24 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.93 3kep h GLN 477 CO -0.01 0.98 0.00 -0.07 -0.67 0.00 0.00 178.83 179.06 3kep h LEU 478 N 0.89 0.00 0.00 1.46 3.38 -0.76 -1.94 115.31 118.35 3kep h LEU 478 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3kep h LEU 478 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3kep h LEU 478 CO 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 178.44 178.45 3kep n ALA 479 N -1.90 2.60 -3.05 1.53 0.00 -1.10 -0.04 120.51 118.54 3kep n ALA 479 Ca -0.00 -0.16 -0.17 0.00 0.00 0.00 0.00 53.44 53.11 3kep n ALA 479 Cb 0.16 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.21 3kep n ALA 479 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kep n ALA 480 N -1.50 1.21 -2.57 0.00 0.00 -0.73 -3.76 120.51 113.15 3kep n ALA 480 Ca 0.07 -2.81 -0.43 0.00 0.00 0.00 0.00 53.44 50.27 3kep n ALA 480 Cb 0.34 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.78 3kep n ALA 480 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kep s VAL 481 N -1.20 4.53 0.21 0.00 1.01 0.13 -4.67 120.40 120.43 3kep s VAL 481 Ca 0.34 1.83 -0.16 0.00 0.00 0.00 0.00 61.98 64.00 3kep s VAL 481 Cb 0.27 -4.18 -0.08 0.00 0.00 0.00 0.00 36.38 32.39 3kep s VAL 481 CO -0.11 -0.07 0.64 -0.44 0.00 0.00 0.00 175.10 175.13 3kep s SER 482 N 1.38 6.87 -1.38 3.32 0.01 -1.26 -0.70 113.70 121.93 3kep s SER 482 Ca 0.50 1.21 -0.05 0.00 1.31 0.00 0.00 55.95 58.92 3kep s SER 482 Cb -0.20 -2.34 0.01 0.00 0.21 0.00 0.00 66.02 63.70 3kep s SER 482 CO 0.15 0.00 0.64 0.59 0.41 0.00 0.00 173.24 175.04 3kep n ASN 483 N 0.44 -5.76 -4.71 2.44 3.02 -1.26 -4.75 115.26 104.68 3kep n ASN 483 Ca -0.02 -0.30 -0.42 0.00 -0.03 0.00 0.00 54.58 53.81 3kep n ASN 483 Cb 0.52 -4.55 -0.03 0.00 -0.61 0.00 0.00 39.78 35.11 3kep n ASN 483 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3kep s PHE 484 N -3.15 3.64 -0.01 3.10 5.36 -1.26 -4.43 117.98 121.23 3kep s PHE 484 Ca 0.32 1.64 0.00 0.00 -0.96 0.00 0.00 56.93 57.93 3kep s PHE 484 Cb -0.14 -3.17 0.01 0.00 -0.34 0.00 0.00 43.02 39.38 3kep s PHE 484 CO 0.39 -0.23 -0.01 0.08 -1.46 0.00 0.00 175.22 174.00 3kep s VAL 485 N 0.82 0.13 -0.03 3.12 1.01 -0.32 -2.07 120.40 123.06 3kep s VAL 485 Ca 0.52 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.52 3kep s VAL 485 Cb -0.23 -0.17 0.02 0.00 0.00 0.00 0.00 36.38 35.99 3kep s VAL 485 CO 0.29 0.08 -0.04 -0.51 0.00 0.00 0.00 175.10 174.92 3kep s ILE 486 N 0.41 0.44 0.32 2.22 2.07 -0.58 -0.86 121.20 125.22 3kep s ILE 486 Ca -0.04 -0.11 -0.01 0.00 -1.41 0.00 0.00 60.65 59.08 3kep s ILE 486 Cb -0.06 -0.45 0.01 0.00 0.13 0.00 0.00 42.46 42.08 3kep s ILE 486 CO -0.01 0.18 0.43 0.61 -1.91 0.00 0.00 174.94 174.25 3kep n GLY 487 N 3.75 2.24 2.63 1.50 0.00 -0.06 -0.27 105.19 114.98 3kep n GLY 487 Ca -0.23 -1.60 -0.24 0.00 0.00 0.00 0.00 46.02 43.95 3kep n GLY 487 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kep s ARG 488 N -2.74 0.04 0.05 1.61 3.52 -0.09 -0.63 118.95 120.71 3kep s ARG 488 Ca 0.27 0.03 -0.37 0.00 -0.13 0.00 0.00 55.73 55.53 3kep s ARG 488 Cb -0.01 -1.53 -0.16 0.00 -1.56 0.00 0.00 34.95 31.70 3kep s ARG 488 CO 0.19 -0.60 1.46 0.54 -0.81 0.00 0.00 175.30 176.08 3kep n ARG 489 N 5.29 1.37 -0.39 5.12 1.74 0.01 -0.79 116.66 129.01 3kep n ARG 489 Ca -0.06 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 3kep n ARG 489 Cb 0.49 -2.18 0.00 0.00 -1.02 0.00 0.00 32.46 29.76 3kep n ARG 489 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kep n GLY 490 N 2.97 1.12 0.86 -0.13 0.00 -1.26 -4.84 105.19 103.91 3kep n GLY 490 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3kep n GLY 490 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kep n TYR 491 N -2.00 0.00 -2.92 1.61 4.01 0.03 -4.80 117.16 113.08 3kep n TYR 491 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3kep n TYR 491 Cb 0.00 0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 3kep n TYR 491 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kep n GLY 492 N 2.52 -0.10 3.53 2.72 0.00 -0.86 -0.47 105.19 112.53 3kep n GLY 492 Ca 0.00 -1.33 -0.15 0.00 0.00 0.00 0.00 46.02 44.54 3kep n GLY 492 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kep s ILE 494 N -1.46 3.19 -0.27 0.00 1.01 0.63 -1.44 121.20 122.86 3kep s ILE 494 Ca -0.07 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 59.98 3kep s ILE 494 Cb -0.00 -2.37 0.05 0.00 0.01 0.00 0.00 42.46 40.15 3kep s ILE 494 CO 0.05 0.51 -0.07 -0.89 0.00 0.00 0.00 174.94 174.54 3kep s THR 495 N 0.54 2.56 0.30 2.92 2.01 0.38 -1.53 115.64 122.83 3kep s THR 495 Ca -0.07 -1.42 -0.29 0.00 0.31 0.00 0.00 61.69 60.22 3kep s THR 495 Cb -0.15 -2.44 -0.10 0.00 0.01 0.00 0.00 72.50 69.82 3kep s THR 495 CO 0.03 0.01 1.16 -0.36 -0.69 0.00 0.00 174.62 174.77 3kep s PHE 496 N 1.20 3.40 0.03 4.92 0.08 -0.88 -0.71 117.98 126.03 3kep s PHE 496 Ca -0.05 1.61 0.10 0.00 0.12 0.00 0.00 56.93 58.70 3kep s PHE 496 Cb -0.19 -3.40 -0.12 0.00 -0.57 0.00 0.00 43.02 38.74 3kep s PHE 496 CO -0.04 -0.95 1.33 1.96 -0.10 0.00 0.00 175.22 177.42 3kep h GLN 497 N 3.62 0.00 -5.31 0.44 1.08 -1.66 -3.44 115.11 109.83 3kep h GLN 497 Ca -0.47 0.00 -0.49 0.00 -1.45 0.00 0.00 58.65 56.23 3kep h GLN 497 Cb 1.22 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 28.51 3kep h GLN 497 CO 0.66 0.84 -0.61 -1.01 -0.95 0.00 0.00 178.83 177.76 3kep s HIS 498 N -2.79 2.03 0.28 2.96 3.76 -1.26 -5.04 115.29 115.23 3kep s HIS 498 Ca 0.02 -0.89 -0.29 0.00 -0.15 0.00 0.00 55.06 53.75 3kep s HIS 498 Cb 0.09 -1.33 -0.14 0.00 1.11 0.00 0.00 32.58 32.32 3kep s HIS 498 CO 0.80 0.10 1.15 -0.25 -0.85 0.00 0.00 174.74 175.68 3kep n ASP 499 N -0.71 1.87 -4.52 1.40 8.00 -1.26 -4.78 116.55 116.55 3kep n ASP 499 Ca -0.03 1.18 -0.24 0.00 0.71 0.00 0.00 54.79 56.41 3kep n ASP 499 Cb 0.66 -1.35 -0.09 0.00 -0.02 0.00 0.00 41.12 40.32 3kep n ASP 499 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3kep s VAL 500 N -0.84 2.77 -0.39 2.53 -7.23 0.12 -4.79 120.40 112.58 3kep s VAL 500 Ca 0.61 -2.22 -0.11 0.00 -1.81 0.00 0.00 61.98 58.45 3kep s VAL 500 Cb -0.68 -2.45 0.04 0.00 0.56 0.00 0.00 36.38 33.85 3kep s VAL 500 CO 0.58 -0.36 0.23 -0.62 -0.31 0.00 0.00 175.10 174.62 3kep s ASP 501 N -3.48 5.74 -0.07 4.85 -1.08 -1.25 0.20 116.67 121.59 3kep s ASP 501 Ca 0.30 -1.15 0.15 0.00 -0.52 0.00 0.00 52.55 51.33 3kep s ASP 501 Cb -0.06 -2.02 0.48 0.00 -1.46 0.00 0.00 42.92 39.86 3kep s ASP 501 CO 0.16 -0.44 1.40 0.18 0.52 0.00 0.00 175.17 176.99 3kep n LEU 502 N 4.99 3.64 0.30 -1.34 4.77 0.94 -4.31 117.00 126.00 3kep n LEU 502 Ca -0.11 -2.33 0.18 0.00 -0.03 0.00 0.00 56.01 53.72 3kep n LEU 502 Cb 0.45 -0.40 0.90 0.00 -2.33 0.00 0.00 43.42 42.04 3kep n LEU 502 CO 0.38 0.76 1.06 0.71 -1.33 0.00 0.00 177.39 178.97 3kep h THR 503 N 2.62 0.14 0.00 -5.08 1.35 -1.91 -1.61 112.91 108.42 3kep h THR 503 Ca 0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3kep h THR 503 Cb 1.08 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 3kep h THR 503 CO 0.10 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 175.40 3kep n ALA 504 N -2.13 1.68 -0.52 6.62 0.00 -1.26 -3.62 120.51 121.27 3kep n ALA 504 Ca -0.01 0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.55 3kep n ALA 504 Cb 0.20 -1.36 0.24 0.00 0.00 0.00 0.00 19.45 18.54 3kep n ALA 504 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3kep n PHE 505 N -2.07 0.88 0.30 0.00 3.72 -0.60 -4.69 117.46 114.99 3kep n PHE 505 Ca 0.03 -0.63 0.15 0.00 -0.05 0.00 0.00 57.45 56.95 3kep n PHE 505 Cb 0.22 -0.16 0.71 0.00 -0.94 0.00 0.00 39.48 39.31 3kep n PHE 505 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3kep h THR 506 N 2.59 0.00 -0.27 4.37 1.35 -1.72 -2.99 112.91 116.24 3kep h THR 506 Ca 0.00 -0.19 0.06 0.00 -0.55 0.00 0.00 66.41 65.73 3kep h THR 506 Cb 1.12 0.98 -0.07 0.00 -1.73 0.00 0.00 68.15 68.45 3kep h THR 506 CO 0.12 0.00 -0.19 0.11 -0.25 0.00 0.00 175.52 175.31 3kep h LYS 507 N 0.00 -0.17 -0.76 4.72 6.56 -1.90 -3.42 116.57 121.60 3kep h LYS 507 Ca 0.00 0.01 0.13 0.00 -1.06 0.00 0.00 60.65 59.74 3kep h LYS 507 Cb 0.24 0.04 -0.21 0.00 -0.57 0.00 0.00 32.23 31.73 3kep h LYS 507 CO 0.00 -0.12 -0.15 0.45 -2.06 0.00 0.00 179.45 177.58 3kep s SER 508 N -5.08 -1.09 0.15 0.86 0.15 -1.14 -5.04 113.70 102.52 3kep s SER 508 Ca -0.14 0.57 -0.16 0.00 0.70 0.00 0.00 55.95 56.91 3kep s SER 508 Cb 0.12 1.87 0.05 0.00 -1.71 0.00 0.00 66.02 66.35 3kep s SER 508 CO 0.69 -0.20 1.76 -0.26 1.20 0.00 0.00 173.24 176.43 3kep h PHE 509 N 7.96 0.28 0.00 3.44 0.04 -1.80 0.11 116.94 126.97 3kep h PHE 509 Ca -0.17 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.65 3kep h PHE 509 Cb 1.17 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 39.21 3kep h PHE 509 CO 0.10 0.14 -0.19 -0.09 -0.60 0.00 0.00 178.31 177.66 3kep h ARG 510 N 0.32 -0.30 -0.20 1.51 2.43 -1.90 -1.22 114.38 115.02 3kep h ARG 510 Ca 0.16 0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.19 3kep h ARG 510 Cb 0.10 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3kep h ARG 510 CO -0.13 -0.20 -0.53 0.93 -1.51 0.00 0.00 179.97 178.53 3kep h GLU 511 N -0.31 0.58 -0.27 0.20 5.08 -1.80 -2.45 114.58 115.60 3kep h GLU 511 Ca 0.06 -0.35 -0.15 0.00 -1.00 0.00 0.00 59.36 57.91 3kep h GLU 511 Cb 0.38 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 3kep h GLU 511 CO -0.18 0.96 -0.41 0.93 -1.00 0.00 0.00 179.01 179.31 3kep h GLU 512 N 0.45 0.76 0.04 2.33 5.08 -0.75 -3.39 114.58 119.09 3kep h GLU 512 Ca 0.01 -0.46 -0.19 0.00 -1.00 0.00 0.00 59.36 57.73 3kep h GLU 512 Cb 1.07 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 3kep h GLU 512 CO 0.10 1.08 -0.98 -0.07 -1.00 0.00 0.00 179.01 178.14 3kep h LEU 513 N 0.51 0.12 -8.14 1.33 3.38 -1.26 -1.15 115.31 110.10 3kep h LEU 513 Ca 0.03 -0.74 -0.59 0.00 0.09 0.00 0.00 57.88 56.66 3kep h LEU 513 Cb 1.01 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 41.62 3kep h LEU 513 CO 0.10 1.40 1.40 -0.36 0.09 0.00 0.00 178.44 181.07 3kep s PHE 514 N -2.36 2.52 0.00 1.13 0.08 -0.92 -1.97 117.98 116.46 3kep s PHE 514 Ca -0.23 -0.74 0.00 0.00 0.12 0.00 0.00 56.93 56.07 3kep s PHE 514 Cb 0.03 -4.67 0.00 0.00 -0.57 0.00 0.00 43.02 37.81 3kep s PHE 514 CO 0.67 -1.94 0.00 0.41 -0.10 0.00 0.00 175.22 174.26 3kep n GLY 515 N 6.60 0.75 0.58 4.36 0.00 0.07 -4.87 105.19 112.67 3kep n GLY 515 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 3kep n GLY 515 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kep n LYS 516 N -2.17 0.00 0.06 1.61 -0.00 -1.22 -4.79 118.16 111.65 3kep n LYS 516 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.23 3kep n LYS 516 Cb 0.00 -0.13 0.06 0.00 -0.00 0.00 0.00 35.03 34.96 3kep n LYS 516 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 3kep h ILE 517 N 0.00 1.38 -3.17 0.58 1.08 -1.22 -3.42 117.51 112.74 3kep h ILE 517 Ca 0.00 -2.07 -0.61 0.00 -0.39 0.00 0.00 64.86 61.79 3kep h ILE 517 Cb 0.00 2.05 -0.35 0.00 -3.07 0.00 0.00 36.82 35.45 3kep h ILE 517 CO 0.00 0.62 -0.84 -0.69 -0.69 0.00 0.00 178.15 176.55 3kep s VAL 518 N -3.69 1.63 -0.13 1.67 1.01 -0.83 0.43 120.40 120.49 3kep s VAL 518 Ca -0.05 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 3kep s VAL 518 Cb 0.11 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 35.01 3kep s VAL 518 CO 0.83 0.47 -0.07 -0.63 0.00 0.00 0.00 175.10 175.69 3kep s ILE 519 N 1.26 1.05 -0.29 2.22 1.01 -0.14 -0.75 121.20 125.55 3kep s ILE 519 Ca 0.00 -0.37 -0.13 0.00 0.00 0.00 0.00 60.65 60.15 3kep s ILE 519 Cb -0.14 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 3kep s ILE 519 CO -0.07 0.31 0.29 -0.36 0.00 0.00 0.00 174.94 175.11 3kep s PHE 520 N 1.69 3.23 0.25 3.97 0.08 -1.26 -0.65 117.98 125.29 3kep s PHE 520 Ca 0.04 0.18 0.07 0.00 0.12 0.00 0.00 56.93 57.34 3kep s PHE 520 Cb -0.13 -2.51 -0.04 0.00 -0.57 0.00 0.00 43.02 39.78 3kep s PHE 520 CO -0.08 -0.25 0.17 1.03 -0.10 0.00 0.00 175.22 175.99 3kep s ARG 521 N 1.91 2.84 0.63 0.44 3.00 -0.79 -4.97 118.95 122.01 3kep s ARG 521 Ca 0.11 -1.10 0.38 0.00 0.00 0.00 0.00 55.73 55.11 3kep s ARG 521 Cb -0.16 -2.51 2.13 0.00 0.00 0.00 0.00 34.95 34.40 3kep s ARG 521 CO 0.11 0.40 2.31 0.66 0.00 0.00 0.00 175.30 178.77 3kep h SER 522 N 1.55 0.00 0.00 0.23 4.64 -1.98 -2.00 113.55 115.99 3kep h SER 522 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3kep h SER 522 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3kep h SER 522 CO 0.61 0.01 0.00 -0.24 -0.87 0.00 0.00 176.83 176.33 3kep n SER 523 N -3.41 0.00 -3.81 4.97 2.88 -1.26 -4.87 113.62 108.12 3kep n SER 523 Ca -0.03 -0.21 -0.27 0.00 -1.33 0.00 0.00 58.87 57.04 3kep n SER 523 Cb 0.09 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.58 3kep n SER 523 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3kep n LYS 524 N -0.85 -5.59 -4.28 -1.46 4.76 -0.75 -5.03 118.16 104.95 3kep n LYS 524 Ca 0.03 0.63 -0.15 0.00 -2.87 0.00 0.00 58.31 55.95 3kep n LYS 524 Cb 0.01 -5.44 -0.10 0.00 -1.84 0.00 0.00 35.03 27.66 3kep n LYS 524 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3kep s THR 525 N -3.42 0.70 -0.03 -0.18 2.01 -1.25 -4.94 115.64 108.53 3kep s THR 525 Ca 0.44 -2.00 0.03 0.00 0.31 0.00 0.00 61.69 60.48 3kep s THR 525 Cb -0.22 -2.33 -0.00 0.00 0.01 0.00 0.00 72.50 69.96 3kep s THR 525 CO 0.81 -0.29 -0.13 0.54 -0.69 0.00 0.00 174.62 174.86 3kep s VAL 526 N -3.65 1.06 -0.06 3.82 0.11 -1.26 -1.89 120.40 118.53 3kep s VAL 526 Ca 0.29 -0.52 0.06 0.00 -2.93 0.00 0.00 61.98 58.87 3kep s VAL 526 Cb 0.07 -0.92 -0.01 0.00 -1.53 0.00 0.00 36.38 33.98 3kep s VAL 526 CO 0.08 0.32 -0.24 -0.70 -3.33 0.00 0.00 175.10 171.22 3kep s GLU 527 N 0.06 2.58 -0.13 1.54 2.12 0.17 -4.99 118.70 120.05 3kep s GLU 527 Ca -0.02 -0.88 0.02 0.00 0.36 0.00 0.00 54.97 54.45 3kep s GLU 527 Cb -0.09 -2.14 0.00 0.00 0.26 0.00 0.00 34.13 32.16 3kep s GLU 527 CO 0.01 0.34 -0.21 0.08 -0.54 0.00 0.00 175.26 174.94 3kep s VAL 528 N -0.07 2.22 -0.87 3.70 1.01 -1.26 -0.97 120.40 124.16 3kep s VAL 528 Ca -0.06 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 60.94 3kep s VAL 528 Cb -0.14 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 3kep s VAL 528 CO 0.04 0.54 0.75 -1.22 0.00 0.00 0.00 175.10 175.22 3kep n TYR 529 N 3.93 -2.61 0.36 5.22 4.01 0.17 -4.90 117.16 123.34 3kep n TYR 529 Ca -0.20 0.95 0.09 0.00 -0.16 0.00 0.00 57.90 58.58 3kep n TYR 529 Cb 0.52 -3.86 0.40 0.00 -0.31 0.00 0.00 39.34 36.09 3kep n TYR 529 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3kep n PRO 530 N -2.51 0.11 -3.56 -0.72 -0.04 -1.26 -4.45 135.00 122.56 3kep n PRO 530 Ca -0.07 0.40 -0.40 0.00 -0.04 0.00 0.00 63.50 63.39 3kep n PRO 530 Cb 0.56 -1.72 -0.11 0.00 -0.04 0.00 0.00 33.50 32.19 3kep n PRO 530 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3kep s ASP 531 N -3.69 5.92 0.36 3.54 2.15 -1.26 -5.00 116.67 118.69 3kep s ASP 531 Ca 0.04 -0.48 0.13 0.00 0.43 0.00 0.00 52.55 52.67 3kep s ASP 531 Cb 0.08 -2.10 0.68 0.00 -0.30 0.00 0.00 42.92 41.29 3kep s ASP 531 CO 0.29 -0.23 1.80 -0.33 -0.17 0.00 0.00 175.17 176.52 3kep h GLU 532 N 8.46 0.00 0.00 4.34 4.39 -1.96 -2.00 114.58 127.81 3kep h GLU 532 Ca -0.31 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.37 3kep h GLU 532 Cb 1.15 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.80 3kep h GLU 532 CO 0.63 0.40 -0.10 0.00 -1.16 0.00 0.00 179.01 178.79 3kep h ALA 533 N 1.60 1.60 0.00 3.43 0.00 -1.96 -2.21 119.26 121.73 3kep h ALA 533 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kep h ALA 533 Cb 0.72 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3kep h ALA 533 CO 0.05 0.12 -0.58 1.79 0.00 0.00 0.00 179.25 180.63 3kep h THR 534 N 0.00 0.00 -2.87 0.00 1.35 -1.77 -3.47 112.91 106.14 3kep h THR 534 Ca -0.00 -0.90 -0.56 0.00 -0.55 0.00 0.00 66.41 64.40 3kep h THR 534 Cb 0.20 1.59 -0.03 0.00 -1.73 0.00 0.00 68.15 68.18 3kep h THR 534 CO 0.01 0.00 1.00 -0.75 -0.25 0.00 0.00 175.52 175.53 3kep s LYS 535 N -3.27 4.07 0.00 4.72 2.20 -0.83 -5.08 119.74 121.55 3kep s LYS 535 Ca 0.03 1.67 0.00 0.00 -0.36 0.00 0.00 55.97 57.32 3kep s LYS 535 Cb 0.09 -3.88 0.00 0.00 -1.51 0.00 0.00 37.83 32.52 3kep s LYS 535 CO 0.73 -0.93 0.00 -0.35 -0.36 0.00 0.00 175.35 174.44 3kep n PRO 536 N 7.06 0.00 -3.06 4.03 -0.04 -1.26 -5.02 135.00 136.71 3kep n PRO 536 Ca 0.16 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.21 3kep n PRO 536 Cb 0.45 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.85 3kep n PRO 536 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kep s ILE 538 N 0.00 4.98 0.00 0.52 1.01 -1.26 -4.87 121.20 121.58 3kep s ILE 538 Ca 0.00 1.30 0.00 0.00 0.00 0.00 0.00 60.65 61.95 3kep s ILE 538 Cb 0.00 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.48 3kep s ILE 538 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.63 3kep n GLY 539 N 3.73 0.39 3.58 6.18 0.00 0.67 -5.03 105.19 114.71 3kep n GLY 539 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3kep n GLY 539 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kep s HIS 540 N -2.00 2.66 0.00 1.61 3.76 -1.25 -4.94 115.29 115.13 3kep s HIS 540 Ca 0.00 -0.21 0.00 0.00 -0.15 0.00 0.00 55.06 54.70 3kep s HIS 540 Cb 0.00 -1.32 0.00 0.00 1.11 0.00 0.00 32.58 32.37 3kep s HIS 540 CO 0.00 0.50 0.00 0.41 -0.85 0.00 0.00 174.74 174.80 3kep n GLY 541 N 0.13 2.93 0.59 -2.22 0.00 -1.26 -1.32 105.19 104.04 3kep n GLY 541 Ca -0.11 -0.19 0.09 0.00 0.00 0.00 0.00 46.02 45.81 3kep n GLY 541 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kep n LEU 542 N 0.00 1.75 -3.68 0.99 4.77 -1.26 -4.15 117.00 115.41 3kep n LEU 542 Ca 0.00 -0.77 -0.41 0.00 -0.03 0.00 0.00 56.01 54.79 3kep n LEU 542 Cb 0.00 -0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 40.95 3kep n LEU 542 CO 0.00 0.39 2.27 -3.20 -1.33 0.00 0.00 177.39 175.51 3kep n ASN 543 N 0.39 6.25 -4.07 -1.43 5.15 -0.43 -4.78 115.26 116.33 3kep n ASN 543 Ca 0.15 -3.06 -0.10 0.00 -0.60 0.00 0.00 54.58 50.97 3kep n ASN 543 Cb 0.32 -1.46 -0.08 0.00 -0.53 0.00 0.00 39.78 38.04 3kep n ASN 543 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3kep s VAL 544 N 0.21 0.02 0.47 3.44 -7.23 -1.26 -0.24 120.40 115.81 3kep s VAL 544 Ca 0.47 -1.64 -0.25 0.00 -1.81 0.00 0.00 61.98 58.76 3kep s VAL 544 Cb 0.14 -2.21 -0.08 0.00 0.56 0.00 0.00 36.38 34.79 3kep s VAL 544 CO -0.04 -0.10 1.38 -2.65 -0.31 0.00 0.00 175.10 173.38 3kep n PRO 545 N -0.29 2.07 -3.49 4.82 -0.02 -0.95 -3.88 135.00 133.26 3kep n PRO 545 Ca -0.02 0.74 -0.13 0.00 -2.02 0.00 0.00 63.50 62.07 3kep n PRO 545 Cb 0.64 -2.57 -0.04 0.00 -0.02 0.00 0.00 33.50 31.51 3kep n PRO 545 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kep s ALA 546 N -1.22 -1.52 -0.11 3.55 0.00 -0.49 -1.66 121.76 120.31 3kep s ALA 546 Ca 0.63 0.63 -0.02 0.00 0.00 0.00 0.00 51.96 53.20 3kep s ALA 546 Cb -0.45 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 3kep s ALA 546 CO 0.56 -0.63 -0.03 0.42 0.00 0.00 0.00 175.76 176.08 3kep s ILE 547 N -2.99 4.03 -0.06 0.00 1.01 0.11 -1.01 121.20 122.30 3kep s ILE 547 Ca -0.02 -0.34 0.04 0.00 0.00 0.00 0.00 60.65 60.33 3kep s ILE 547 Cb -0.00 -2.71 -0.00 0.00 0.01 0.00 0.00 42.46 39.75 3kep s ILE 547 CO -0.06 0.56 -0.19 -0.63 0.00 0.00 0.00 174.94 174.61 3kep s ILE 548 N -0.35 1.61 -0.16 2.92 1.01 0.56 -0.47 121.20 126.31 3kep s ILE 548 Ca 0.06 -0.80 -0.03 0.00 0.00 0.00 0.00 60.65 59.88 3kep s ILE 548 Cb -0.12 -1.38 -0.02 0.00 0.01 0.00 0.00 42.46 40.94 3kep s ILE 548 CO 0.02 0.46 -0.06 -0.89 0.00 0.00 0.00 174.94 174.47 3kep s THR 549 N 0.10 3.57 -0.01 2.92 2.01 -0.52 -1.14 115.64 122.57 3kep s THR 549 Ca -0.07 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 61.51 3kep s THR 549 Cb -0.13 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.78 3kep s THR 549 CO 0.04 0.49 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.57 3kep s LEU 550 N 0.58 2.89 0.17 4.42 1.43 0.61 -1.68 118.68 127.10 3kep s LEU 550 Ca -0.04 -0.22 0.04 0.00 -1.03 0.00 0.00 54.13 52.88 3kep s LEU 550 Cb -0.15 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 3kep s LEU 550 CO 0.03 0.30 0.21 -1.61 0.23 0.00 0.00 176.35 175.51 3kep s GLU 551 N -1.15 3.13 -1.37 1.70 2.02 0.38 -1.06 118.70 122.36 3kep s GLU 551 Ca 0.14 -0.78 -0.06 0.00 0.02 0.00 0.00 54.97 54.30 3kep s GLU 551 Cb -0.11 -2.77 0.01 0.00 0.10 0.00 0.00 34.13 31.36 3kep s GLU 551 CO 0.04 0.49 0.76 0.09 0.02 0.00 0.00 175.26 176.66 3kep n ASN 552 N -0.54 -5.90 -4.58 -0.19 4.13 -0.60 -4.89 115.26 102.69 3kep n ASN 552 Ca -0.08 -0.35 -0.40 0.00 1.68 0.00 0.00 54.58 55.43 3kep n ASN 552 Cb 0.55 -4.65 -0.08 0.00 -1.54 0.00 0.00 39.78 34.06 3kep n ASN 552 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3kep s VAL 553 N -3.19 5.11 0.07 2.41 1.01 0.58 -4.91 120.40 121.48 3kep s VAL 553 Ca 0.38 0.46 -0.00 0.00 0.00 0.00 0.00 61.98 62.82 3kep s VAL 553 Cb -0.17 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 3kep s VAL 553 CO 0.47 -0.01 -0.03 -0.31 0.00 0.00 0.00 175.10 175.22 3kep s TYR 554 N 2.20 0.65 0.88 5.22 2.02 -1.26 -4.43 117.35 122.62 3kep s TYR 554 Ca 0.17 -1.05 -0.11 0.00 -0.37 0.00 0.00 57.07 55.71 3kep s TYR 554 Cb -0.16 -0.43 0.12 0.00 -0.40 0.00 0.00 41.96 41.09 3kep s TYR 554 CO 0.11 -0.33 1.15 -1.25 -1.57 0.00 0.00 175.55 173.66 3kep s PRO 555 N -3.91 1.29 0.08 -1.71 0.04 -1.26 -4.95 135.00 124.57 3kep s PRO 555 Ca 0.10 1.54 0.03 0.00 0.04 0.00 0.00 61.00 62.71 3kep s PRO 555 Cb 0.07 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.82 3kep s PRO 555 CO -0.08 -2.43 -0.09 0.14 0.04 0.00 0.00 177.00 174.59 3kep s VAL 556 N -2.60 0.78 0.00 -0.36 -7.23 -1.26 -4.46 120.40 105.27 3kep s VAL 556 Ca 0.67 -1.47 -0.35 0.00 -1.81 0.00 0.00 61.98 59.02 3kep s VAL 556 Cb -0.23 -1.14 -0.14 0.00 0.56 0.00 0.00 36.38 35.44 3kep s VAL 556 CO 0.56 -0.52 1.69 -0.67 -0.31 0.00 0.00 175.10 175.85 3kep n ASP 557 N 0.83 2.99 0.26 4.85 2.03 -0.36 -4.87 116.55 122.27 3kep n ASP 557 Ca -0.18 1.04 0.08 0.00 0.52 0.00 0.00 54.79 56.25 3kep n ASP 557 Cb 0.57 -1.35 0.64 0.00 -0.72 0.00 0.00 41.12 40.26 3kep n ASP 557 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 3kep h LYS 558 N 7.25 0.00 0.02 -0.67 2.10 -1.97 0.30 116.57 123.61 3kep h LYS 558 Ca -0.47 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 57.82 3kep h LYS 558 Cb 1.28 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.56 3kep h LYS 558 CO 0.91 0.00 -2.05 0.36 -2.00 0.00 0.00 179.45 176.67 3kep n LYS 559 N -4.54 0.63 0.09 0.07 2.85 -1.26 -4.54 118.16 111.46 3kep n LYS 559 Ca -0.03 0.33 0.12 0.00 -1.05 0.00 0.00 58.31 57.68 3kep n LYS 559 Cb 0.10 -1.62 0.03 0.00 -0.65 0.00 0.00 35.03 32.90 3kep n LYS 559 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3kep n THR 560 N -3.97 0.53 -1.34 0.58 -2.24 -1.21 -4.97 114.28 101.66 3kep n THR 560 Ca -0.42 -0.47 -0.12 0.00 -2.27 0.00 0.00 64.05 60.77 3kep n THR 560 Cb 0.88 -0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.81 3kep n THR 560 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kep n LYS 561 N -2.51 -1.14 -2.57 -0.78 4.76 0.10 -4.97 118.16 111.07 3kep n LYS 561 Ca 0.01 0.88 -0.41 0.00 -2.87 0.00 0.00 58.31 55.92 3kep n LYS 561 Cb 0.52 -5.00 -0.04 0.00 -1.84 0.00 0.00 35.03 28.67 3kep n LYS 561 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3kep s LYS 562 N -2.86 4.62 0.00 1.97 3.01 -1.26 -4.66 119.74 120.56 3kep s LYS 562 Ca 0.00 1.65 0.00 0.00 -1.01 0.00 0.00 55.97 56.61 3kep s LYS 562 Cb 0.00 -3.30 0.00 0.00 -1.01 0.00 0.00 37.83 33.52 3kep s LYS 562 CO 0.00 0.10 0.00 -2.30 0.51 0.00 0.00 175.35 173.66 3kep n PRO 563 N 2.51 2.51 0.00 -1.68 -0.02 -1.26 -1.23 135.00 135.82 3kep n PRO 563 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3kep n PRO 563 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.95 3kep n PRO 563 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3kep n LYS 565 N 0.00 0.00 -2.70 -0.52 5.02 -1.26 -4.85 118.16 113.84 3kep n LYS 565 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 3kep n LYS 565 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 3kep n LYS 565 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3kep s ASP 566 N 0.00 6.36 0.00 4.39 2.15 -1.26 -4.86 116.67 123.45 3kep s ASP 566 Ca 0.00 -1.20 0.23 0.00 0.43 0.00 0.00 52.55 52.01 3kep s ASP 566 Cb 0.00 -2.50 1.18 0.00 -0.30 0.00 0.00 42.92 41.31 3kep s ASP 566 CO 0.00 -1.49 1.74 0.35 -0.17 0.00 0.00 175.17 175.60 3kep n THR 567 N 6.24 0.24 0.24 1.71 -2.24 -1.26 -1.71 114.28 117.50 3kep n THR 567 Ca 0.15 0.06 0.09 0.00 -2.27 0.00 0.00 64.05 62.08 3kep n THR 567 Cb 0.49 -0.69 0.61 0.00 -2.10 0.00 0.00 70.33 68.63 3kep n THR 567 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3kep h THR 568 N 0.00 0.81 0.00 4.28 1.35 -2.02 -3.24 112.91 114.09 3kep h THR 568 Ca 0.00 -0.68 -0.66 0.00 -0.55 0.00 0.00 66.41 64.53 3kep h THR 568 Cb 0.17 1.40 -0.00 0.00 -1.73 0.00 0.00 68.15 67.99 3kep h THR 568 CO 0.00 0.17 3.11 0.29 -0.25 0.00 0.00 175.52 178.84 3kep n LYS 569 N -3.88 2.74 -0.21 4.72 5.02 -0.70 -4.77 118.16 121.08 3kep n LYS 569 Ca -0.02 -2.25 -0.09 0.00 -2.02 0.00 0.00 58.31 53.93 3kep n LYS 569 Cb 0.27 -3.02 0.02 0.00 -0.02 0.00 0.00 35.03 32.29 3kep n LYS 569 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3kep h PHE 570 N 6.13 1.12 -0.80 2.13 3.57 -1.83 -2.41 116.94 124.85 3kep h PHE 570 Ca 0.61 -0.19 0.01 0.00 3.53 0.00 0.00 57.97 61.94 3kep h PHE 570 Cb 0.51 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 3kep h PHE 570 CO 1.58 0.99 0.53 0.00 -2.23 0.00 0.00 178.31 179.17 3kep h ALA 571 N 0.99 1.44 -0.57 2.41 0.00 -1.92 0.87 119.26 122.48 3kep h ALA 571 Ca 0.17 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3kep h ALA 571 Cb 0.52 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3kep h ALA 571 CO 0.03 0.51 0.03 0.93 0.00 0.00 0.00 179.25 180.75 3kep h GLU 572 N 1.07 0.98 -0.51 0.00 4.39 -1.85 0.25 114.58 118.92 3kep h GLU 572 Ca 0.30 -0.30 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3kep h GLU 572 Cb -0.11 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.42 3kep h GLU 572 CO -0.07 0.97 0.20 0.74 -1.16 0.00 0.00 179.01 179.69 3kep h PHE 573 N 0.87 0.73 -0.45 4.33 0.04 -0.81 -1.41 116.94 120.24 3kep h PHE 573 Ca 0.16 -0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.79 3kep h PHE 573 Cb 0.51 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 3kep h PHE 573 CO 0.04 0.57 -0.15 1.96 -0.60 0.00 0.00 178.31 180.13 3kep h GLN 574 N 0.72 0.86 -0.31 1.51 4.20 -0.25 0.35 115.11 122.19 3kep h GLN 574 Ca 0.17 -0.32 0.04 0.00 0.06 0.00 0.00 58.65 58.61 3kep h GLN 574 Cb 0.15 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 3kep h GLN 574 CO -0.02 0.95 0.08 0.28 -0.67 0.00 0.00 178.83 179.45 3kep h VAL 575 N 0.76 0.87 -0.04 -0.54 2.07 -0.56 -1.28 116.25 117.52 3kep h VAL 575 Ca 0.12 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.58 3kep h VAL 575 Cb 0.67 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3kep h VAL 575 CO 0.05 0.04 -0.02 0.15 0.02 0.00 0.00 177.57 177.81 3kep h PHE 576 N 0.20 -0.04 -0.84 1.57 3.57 -1.05 -2.20 116.94 118.16 3kep h PHE 576 Ca 0.14 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.73 3kep h PHE 576 Cb 0.14 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 38.83 3kep h PHE 576 CO -0.16 -0.03 0.50 0.22 -2.23 0.00 0.00 178.31 176.61 3kep h ASP 577 N -0.01 0.74 -0.71 0.41 3.58 -0.78 -1.18 116.42 118.47 3kep h ASP 577 Ca 0.02 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.49 3kep h ASP 577 Cb 0.04 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 40.95 3kep h ASP 577 CO -0.05 0.44 0.36 0.03 -2.88 0.00 0.00 179.24 177.14 3kep h ARG 578 N 0.85 1.03 -0.44 0.28 3.08 -0.91 0.11 114.38 118.38 3kep h ARG 578 Ca 0.39 -0.13 0.02 0.00 0.07 0.00 0.00 59.98 60.33 3kep h ARG 578 Cb 0.30 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 3kep h ARG 578 CO -0.22 0.79 0.25 0.87 -1.07 0.00 0.00 179.97 180.59 3kep h LYS 579 N 1.03 0.49 -0.52 0.04 1.79 -0.68 -2.04 116.57 116.68 3kep h LYS 579 Ca 0.25 -0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.61 3kep h LYS 579 Cb 0.09 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 3kep h LYS 579 CO -0.03 0.33 -0.01 -0.07 -1.08 0.00 0.00 179.45 178.58 3kep h LEU 580 N 0.51 0.92 -2.11 2.94 3.38 -0.69 -2.32 115.31 117.94 3kep h LEU 580 Ca 0.18 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3kep h LEU 580 Cb 0.03 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3kep h LEU 580 CO -0.09 1.01 -0.02 0.03 0.09 0.00 0.00 178.44 179.46 3kep h ARG 581 N 0.81 0.00 -5.77 1.13 3.08 -0.49 -3.41 114.38 109.73 3kep h ARG 581 Ca 0.15 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.60 3kep h ARG 581 Cb 0.55 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.47 3kep h ARG 581 CO 0.03 0.02 0.69 -1.54 -1.07 0.00 0.00 179.97 178.09 3kep s SER 582 N -6.78 6.20 0.00 7.04 1.04 -0.79 -4.68 113.70 115.72 3kep s SER 582 Ca -0.05 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.65 3kep s SER 582 Cb 0.16 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.82 3kep s SER 582 CO 0.63 -1.51 0.00 0.54 0.98 0.00 0.00 173.24 173.88 3kep n ARG 584 N 8.12 0.00 -2.05 4.02 5.12 -1.26 -5.09 116.66 125.52 3kep n ARG 584 Ca -0.01 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.52 3kep n ARG 584 Cb 0.47 -0.65 0.03 0.00 -1.16 0.00 0.00 32.46 31.15 3kep n ARG 584 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3kep n GLU 585 N -2.03 3.15 -3.32 5.56 -0.58 -1.26 -5.03 120.64 117.12 3kep n GLU 585 Ca 0.00 -3.73 0.02 0.00 -0.42 0.00 0.00 57.16 53.04 3kep n GLU 585 Cb 0.21 -2.30 -0.02 0.00 -0.57 0.00 0.00 31.44 28.76 3kep n GLU 585 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3kep s ASN 587 N -1.24 -1.06 0.33 1.62 0.01 0.15 -4.57 114.94 110.19 3kep s ASN 587 Ca 0.50 0.97 -0.29 0.00 -0.71 0.00 0.00 52.86 53.33 3kep s ASN 587 Cb 0.40 2.01 -0.11 0.00 0.41 0.00 0.00 41.25 43.96 3kep s ASN 587 CO -0.37 -0.20 1.54 0.00 -1.51 0.00 0.00 177.10 176.56 3kep n TYR 588 N 5.37 2.89 -0.00 2.20 9.36 -1.26 -0.66 117.16 135.06 3kep n TYR 588 Ca -0.06 0.35 -0.03 0.00 3.32 0.00 0.00 57.90 61.48 3kep n TYR 588 Cb 0.51 -2.56 -0.01 0.00 -0.63 0.00 0.00 39.34 36.65 3kep n TYR 588 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 3kep n ILE 589 N 1.30 0.54 -3.48 2.97 5.41 -0.31 -4.85 119.36 120.94 3kep n ILE 589 Ca 0.05 0.09 -0.11 0.00 1.00 0.00 0.00 62.75 63.77 3kep n ILE 589 Cb 0.38 -1.59 -0.03 0.00 -0.71 0.00 0.00 39.64 37.69 3kep n ILE 589 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3kep s SER 590 N -5.53 -0.48 -0.10 4.38 1.04 -0.77 -4.99 113.70 107.25 3kep s SER 590 Ca -0.05 0.13 -0.04 0.00 0.48 0.00 0.00 55.95 56.48 3kep s SER 590 Cb 0.01 0.48 0.05 0.00 0.10 0.00 0.00 66.02 66.66 3kep s SER 590 CO 0.06 -0.72 0.20 -0.47 0.98 0.00 0.00 173.24 173.29 3kep s TYR 591 N -2.91 -0.27 -0.30 5.02 5.04 -1.26 -0.78 117.35 121.90 3kep s TYR 591 Ca 0.01 0.71 -0.07 0.00 -2.44 0.00 0.00 57.07 55.28 3kep s TYR 591 Cb -0.01 -0.09 0.01 0.00 0.35 0.00 0.00 41.96 42.22 3kep s TYR 591 CO -0.07 -0.26 0.08 1.21 -1.34 0.00 0.00 175.55 175.17 3kep s ASN 592 N 1.80 5.11 0.56 4.32 3.84 -0.27 -4.94 114.94 125.37 3kep s ASN 592 Ca -0.03 -0.75 0.28 0.00 0.21 0.00 0.00 52.86 52.57 3kep s ASN 592 Cb -0.12 -1.87 1.66 0.00 -0.55 0.00 0.00 41.25 40.38 3kep s ASN 592 CO -0.07 -0.20 2.19 -0.65 -2.79 0.00 0.00 177.10 175.58 3kep h PRO 593 N 8.22 0.00 -5.50 0.43 0.11 -1.95 -0.17 132.00 133.15 3kep h PRO 593 Ca -0.31 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.16 3kep h PRO 593 Cb 1.12 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.09 3kep h PRO 593 CO 0.60 0.04 0.98 -0.06 -0.21 0.00 0.00 178.00 179.35 3kep s PHE 594 N -4.52 2.81 0.00 0.65 0.08 -1.26 -2.93 117.98 112.81 3kep s PHE 594 Ca -0.04 -0.98 0.00 0.00 0.12 0.00 0.00 56.93 56.03 3kep s PHE 594 Cb 0.15 -4.43 0.00 0.00 -0.57 0.00 0.00 43.02 38.17 3kep s PHE 594 CO 0.57 -1.69 0.00 0.41 -0.10 0.00 0.00 175.22 174.41 3kep n GLY 595 N 5.84 2.11 2.99 4.36 0.00 -1.26 -4.69 105.19 114.55 3kep n GLY 595 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 3kep n GLY 595 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kep n GLY 596 N -0.95 -0.34 3.43 -0.02 0.00 -0.29 -1.55 105.19 105.46 3kep n GLY 596 Ca 0.00 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3kep n GLY 596 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kep s THR 597 N -3.30 4.94 -0.18 2.61 2.01 -0.23 -0.30 115.64 121.18 3kep s THR 597 Ca 0.08 -0.70 -0.04 0.00 0.31 0.00 0.00 61.69 61.35 3kep s THR 597 Cb -0.01 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 3kep s THR 597 CO 0.60 -0.24 -0.04 0.86 -0.69 0.00 0.00 174.62 175.12 3kep s TRP 598 N 1.63 2.98 -0.06 4.92 -0.00 -0.22 -1.11 118.94 127.08 3kep s TRP 598 Ca 0.04 -0.55 0.06 0.00 -0.00 0.00 0.00 56.10 55.64 3kep s TRP 598 Cb -0.19 -2.02 -0.01 0.00 -0.00 0.00 0.00 33.47 31.26 3kep s TRP 598 CO 0.08 -0.25 -0.23 0.99 -0.00 0.00 0.00 176.95 177.55 3kep s THR 599 N 0.83 1.90 0.17 5.86 2.01 0.04 -0.28 115.64 126.17 3kep s THR 599 Ca -0.01 -0.98 -0.19 0.00 0.31 0.00 0.00 61.69 60.82 3kep s THR 599 Cb -0.15 -1.62 0.04 0.00 0.01 0.00 0.00 72.50 70.79 3kep s THR 599 CO 0.02 0.53 0.52 0.72 -0.69 0.00 0.00 174.62 175.72 3kep s PHE 600 N -0.07 -0.28 -0.08 4.92 -0.12 -0.30 -1.16 117.98 120.89 3kep s PHE 600 Ca -0.05 -0.02 0.00 0.00 -0.05 0.00 0.00 56.93 56.82 3kep s PHE 600 Cb -0.14 0.42 -0.03 0.00 -0.63 0.00 0.00 43.02 42.65 3kep s PHE 600 CO 0.04 -0.85 -0.07 0.21 -0.05 0.00 0.00 175.22 174.50 3kep s LYS 601 N -3.82 2.89 0.18 1.99 2.20 0.16 -0.32 119.74 123.02 3kep s LYS 601 Ca 0.05 -0.55 0.10 0.00 -0.36 0.00 0.00 55.97 55.21 3kep s LYS 601 Cb -0.00 -2.63 -0.04 0.00 -1.51 0.00 0.00 37.83 33.64 3kep s LYS 601 CO -0.08 0.59 -0.18 0.14 -0.36 0.00 0.00 175.35 175.47 3kep s VAL 602 N -0.62 2.74 -0.67 4.02 -7.23 -0.18 -0.67 120.40 117.79 3kep s VAL 602 Ca 0.09 -1.83 0.24 0.00 -1.81 0.00 0.00 61.98 58.67 3kep s VAL 602 Cb -0.12 -2.33 -0.01 0.00 0.56 0.00 0.00 36.38 34.48 3kep s VAL 602 CO 0.02 -0.09 1.23 0.59 -0.31 0.00 0.00 175.10 176.53 3kep n ASN 603 N 0.22 0.65 -2.65 4.85 5.03 -1.26 -1.40 115.26 120.70 3kep n ASN 603 Ca -0.12 -0.03 0.02 0.00 0.87 0.00 0.00 54.58 55.31 3kep n ASN 603 Cb 0.55 0.39 0.01 0.00 -1.02 0.00 0.00 39.78 39.71 3kep n ASN 603 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kep n HIS 604 N -1.99 -0.23 -1.80 3.10 1.44 -1.25 -2.24 115.22 112.26 3kep n HIS 604 Ca 0.03 -0.39 -0.15 0.00 -2.01 0.00 0.00 57.72 55.21 3kep n HIS 604 Cb 0.43 0.17 0.09 0.00 0.12 0.00 0.00 29.99 30.80 3kep n HIS 604 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 3kep n PHE 605 N -0.54 1.87 1.04 -1.40 3.72 -1.26 -4.88 117.46 116.01 3kep n PHE 605 Ca 0.03 -2.02 0.08 0.00 -0.05 0.00 0.00 57.45 55.49 3kep n PHE 605 Cb 0.33 -0.41 0.49 0.00 -0.94 0.00 0.00 39.48 38.95 3kep n PHE 605 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10